SCHEMBL3044159

SCHEMBL3044159

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)/C=C/CCCNC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.49
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
REN P00797 2/20 0.44
AKT1 P31749 1/20 0.44
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
APP P05067 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3044161 1.00 KLK5 (0.49) KLK5CTSSCTSKCTSLCTSB
SCHEMBL13390729 0.90 MAPT (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3046768 0.87 KLK5 (0.51) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3053640 0.87 KLK5 (0.51) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3046771 0.87 KLK5 (0.51) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3053637 0.87 KLK5 (0.51) KLK5CTSSCTSKCTSLCTSB
SCHEMBL13390562 0.86 KLK5 (0.53) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3045577 0.85 KLK5 (0.42) KLK5CTSSCTSKCTSLCTSB
SCHEMBL3045572 0.85 KLK5 (0.42) KLK5CTSSCTSKCTSLCTSB
SCHEMBL9659716 0.81 KLK5 (0.55) KLK5CTSSCTSKCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691818-B2 Peptidomimetic inhibitors of retroviral proteases and their use as antivirals Universita' Degli Studi Di Treiste (IT) 2010-04-06 US disclosed
EP-1768665-B1 PEPTIDOMIMETIC INHIBITORS OF HIV PROTEASE UNIV DEGLI STUDI TRIESTE (IT) 2008-11-05 EP disclosed
US-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2007-09-06 US disclosed
EP-1768665-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS Universita'Degli Studi di Trieste (IT) 2007-04-04 EP disclosed
WO-2005123067-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals PREP, PEPD, DNPEP KLK5 3017/4885CTSS 97/4885CTSK 373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.